7-chloro-4-hydroxy-3-(5-methylindol-1-yl)-1H-quinolin-2-one

C18H13ClN2O2 — CID 54719655

IUPAC7-chloro-4-hydroxy-3-(5-methylindol-1-yl)-1H-quinolin-2-one
SMILESCc1ccc2c(ccn2-c2c(O)c3ccc(Cl)cc3[nH]c2=O)c1
InChIInChI=1S/C18H13ClN2O2/c1-10-2-5-15-11(8-10)6-7-21(15)16-17(22)13-4-3-12(19)9-14(13)20-18(16)23/h2-9H,1H3,(H2,20,22,23)
InChIKeyGDGIRIYLPCIASM-UHFFFAOYSA-N
MW324.77 g/mol
LogP4.14
Rot. Bonds1

About 7-chloro-4-hydroxy-3-(5-methylindol-1-yl)-1H-quinolin-2-one

7-chloro-4-hydroxy-3-(5-methylindol-1-yl)-1H-quinolin-2-one (PubChem CID 54719655) has the molecular formula C18H13ClN2O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-(5-methylindol-1-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-(5-methylindol-1-yl)-1H-quinolin-2-one
PubChem CID54719655
Molecular FormulaC18H13ClN2O2
Molecular Weight324.77 g/mol
Exact Mass324.07
IUPAC Name7-chloro-4-hydroxy-3-(5-methylindol-1-yl)-1H-quinolin-2-one
SMILESCc1ccc2c(ccn2-c2c(O)c3ccc(Cl)cc3[nH]c2=O)c1
InChIInChI=1S/C18H13ClN2O2/c1-10-2-5-15-11(8-10)6-7-21(15)16-17(22)13-4-3-12(19)9-14(13)20-18(16)23/h2-9H,1H3,(H2,20,22,23)
InChIKeyGDGIRIYLPCIASM-UHFFFAOYSA-N
XLogP4.14
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-(5-methylindol-1-yl)-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-(5-methylindol-1-yl)-1H-quinolin-2-one (CID 54719655) is 7-chloro-4-hydroxy-3-(5-methylindol-1-yl)-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-(5-methylindol-1-yl)-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-(5-methylindol-1-yl)-1H-quinolin-2-one is Cc1ccc2c(ccn2-c2c(O)c3ccc(Cl)cc3[nH]c2=O)c1.
What is the InChIKey of 7-chloro-4-hydroxy-3-(5-methylindol-1-yl)-1H-quinolin-2-one?
The InChIKey is GDGIRIYLPCIASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2/c1-10-2-5-15-11(8-10)6-7-21(15)16-17(22)13-4-3-12(19)9-14(13)20-18(16)23/h2-9H,1H3,(H2,20,22,23).
What are the key properties of 7-chloro-4-hydroxy-3-(5-methylindol-1-yl)-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-(5-methylindol-1-yl)-1H-quinolin-2-one has a molecular weight of 324.77 g/mol, XLogP of 4.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-(5-methylindol-1-yl)-1H-quinolin-2-one is sourced from PubChem (CID 54719655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).